Dichloromethane → [2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone

HRID 2133352Notes

Reaction equation

HRID 2133352 reaction equation
[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9](-[n:11]2[n:12][c:13]([CH3:16])[cH:14][cH:15]2)[cH:10]1.[Cl:24][C:25]1([C:33]([Cl:34])=[O:35])[CH:26]=[C:27]([Cl:28])[CH:29]=[C:30]([Cl:31])[CH2:32]1.[Cl:60][CH2:61][Cl:62].[n:36]1[cH:37][cH:38][cH:39][c:40]2[c:41]1[NH:42][c:43]1[c:44]([cH:47][cH:48][cH:49][cH:50]1)[NH:45][CH2:46]2>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[N:45]2[c:44]3[c:43]([cH:50][cH:49][cH:48][cH:47]3)[NH:42][c:41]3[n:36][cH:37][cH:38][cH:39][c:40]3[CH2:46]2)[cH:7][cH:8][c:9](-[n:11]2[n:12][c:13]([CH3:16])[cH:14][cH:15]2)[cH:10]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 108474542-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoic acidHCID 110307606,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepineHCID 867555271,3,5-Trichlorobenzoylchloride

Product 1

HCID 9888109[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone

Sources & evidence

ORD record
ord-0c35030bd2114633a976732bf80ca419
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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